3,9-bis(2-ethylhexyl)-12,14-dihydropentacene-5,7-dione

Systemtic Name: 3,9-bis(2-ethylhexyl)-12,14-dihydropentacene-5,7-dione Openeye Name: 3,9-bis(2-ethylhexyl)-12,14-dihydropentacene-5,7-dione CAS Name: 3,9-bis(2-ethylhexyl)-12,14-dihydropentacene-5,7-dione IUPAC Name: 3,9-bis(2-ethylhexyl)-12,14-dihydropentacene-5,7-dione Traditional Name: 3,9-bis(2-ethylhexyl)-12,14-dihydropentacene-5,7-quinone Formula: C38H46O2 MolecularWeight: 534.77064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=CC2=C(CC3=CC4=C(C=C3C2=O)C(=O)C5=C(C4)C=CC(=C5)CC(CC)CCCC)C=C1

Isomeric SMILES

CCCCC(CC)CC1=CC2=C(CC3=CC4=C(C=C3C2=O)C(=O)C5=C(C4)C=CC(=C5)CC(CC)CCCC)C=C1

InChI

InChI=1S/C38H46O2/c1-5-9-11-25(7-3)17-27-13-15-29-21-31-23-32-22-30-16-14-28(18-26(8-4)12-10-6-2)20-34(30)38(40)36(32)24-35(31)37(39)33(29)19-27/h13-16,19-20,23-26H,5-12,17-18,21-22H2,1-4H3